N-(4-acetylphenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide

C19H20N2O6 — CID 108987472

IUPACN-(4-acetylphenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
SMILESCOc1cc(NC(=O)C(=O)Nc2ccc(C(C)=O)cc2)cc(OC)c1OC
InChIInChI=1S/C19H20N2O6/c1-11(22)12-5-7-13(8-6-12)20-18(23)19(24)21-14-9-15(25-2)17(27-4)16(10-14)26-3/h5-10H,1-4H3,(H,20,23)(H,21,24)
InChIKeyNFMAAQCQXXCQAF-UHFFFAOYSA-N
MW372.38 g/mol
LogP2.49
Rot. Bonds6

About N-(4-acetylphenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide

N-(4-acetylphenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide (PubChem CID 108987472) has the molecular formula C19H20N2O6 and a molecular weight of 372.38 g/mol. Its IUPAC name is N-(4-acetylphenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
PubChem CID108987472
Molecular FormulaC19H20N2O6
Molecular Weight372.38 g/mol
Exact Mass372.13
IUPAC NameN-(4-acetylphenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
SMILESCOc1cc(NC(=O)C(=O)Nc2ccc(C(C)=O)cc2)cc(OC)c1OC
InChIInChI=1S/C19H20N2O6/c1-11(22)12-5-7-13(8-6-12)20-18(23)19(24)21-14-9-15(25-2)17(27-4)16(10-14)26-3/h5-10H,1-4H3,(H,20,23)(H,21,24)
InChIKeyNFMAAQCQXXCQAF-UHFFFAOYSA-N
XLogP2.49
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2597337
N-(3-acetamidophenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
CID 108987482
N-(4-propan-2-yloxyphenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
CID 108987392
N-(4-acetylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108514881
4-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 4198373
N-(2,4-dimethoxyphenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
CID 108987426
N-(3-chlorophenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
CID 108987070
methyl N-[4-(3,4,5-trimethoxyanilino)phenyl]carbamate
CID 112989491
N-(4-acetylphenyl)-N'-(4-chlorophenyl)oxamide
CID 108514724
methyl 3-[[2-(4-acetylanilino)-2-oxoacetyl]amino]benzoate
CID 108987464
6-oxo-N-(3,4,5-trimethoxyphenyl)pyran-3-carboxamide
CID 110697559
N'-(4-acetylphenyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 86995908

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide?
The IUPAC name of N-(4-acetylphenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide (CID 108987472) is N-(4-acetylphenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide.
What is the SMILES notation for N-(4-acetylphenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide?
The canonical SMILES for N-(4-acetylphenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide is COc1cc(NC(=O)C(=O)Nc2ccc(C(C)=O)cc2)cc(OC)c1OC.
What is the InChIKey of N-(4-acetylphenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide?
The InChIKey is NFMAAQCQXXCQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6/c1-11(22)12-5-7-13(8-6-12)20-18(23)19(24)21-14-9-15(25-2)17(27-4)16(10-14)26-3/h5-10H,1-4H3,(H,20,23)(H,21,24).
What are the key properties of N-(4-acetylphenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide?
N-(4-acetylphenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide has a molecular weight of 372.38 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide is sourced from PubChem (CID 108987472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).